1-methyl-2[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide oxalate

HCID 57389347

기본 정보

표준 SMILES
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1.O=C(O)C(=O)O
InChIKey
FAHRMZYKCZUHHH-UHFFFAOYSA-N
분자식
C29H31N7O7
평균 분자량
589.6 g/mol
단동위원소 질량
589.22849635

이름 및 식별자

우선 이름
1-methyl-2[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide oxalate
IUPAC
ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;oxalic acid

이름 및 동의어

SCHEMBL9901841FAHRMZYKCZUHHH-UHFFFAOYSA-N1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxy carbonylethyl)amide oxalate1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide oxalate1-methyl-2[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide oxalate

데이터베이스 식별자

PubChem CID
57389347

물성

구조 계산 물성

극성 표면적
214 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
11
회전 가능 결합 수
12
무거운 원자 수
43

관련 반응

6건

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